1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione

C7H10FNO3 — CID 100927723

IUPAC1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(O)CF
InChIInChI=1S/C7H10FNO3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h5,10H,1-4H2
InChIKeyWRJKWLJSWWRYIR-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.53
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione

1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione (PubChem CID 100927723) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
PubChem CID100927723
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC(O)CF
InChIInChI=1S/C7H10FNO3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h5,10H,1-4H2
InChIKeyWRJKWLJSWWRYIR-UHFFFAOYSA-N
XLogP-0.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione (CID 100927723) is 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC(O)CF.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
The InChIKey is WRJKWLJSWWRYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-3-5(10)4-9-6(11)1-2-7(9)12/h5,10H,1-4H2.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione has a molecular weight of 175.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 100927723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).